* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/00/01/07skc0004p21c.mol"
Structure: 1
InChI=1/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1
AuxInfo=1/0/N:8,12,16,25,19,22,2,5,1,7,28,29,32,30,31,33/E:(3,4)(5,6)/it:im/rA:33nCCHHCHCCHHHCHHHCHHCHHCHHCHHNOOOOO/rB:s1;s2;s2;s2;s5;s5;;s8;s8;s8;;s12;s12;s12;;s16;s16;s16;s19;s19;;s22;s22;s22;s25;s25;s5s16s25;d1;s1s8;s7s12;d7;s19s22;/rC:-1.6186,14.5926,1.4148;-1.4408,13.0868,1.4134;-2.205,12.6634,1.8802;-1.4299,12.7566,.4797;-.1608,12.699,2.0964;.5793,13.2512,1.7127;.1484,11.2302,1.8272;-3.2142,16.3122,1.4993;-2.6321,16.8206,2.1022;-4.1503,16.4534,1.7542;-3.077,16.6178,.5785;1.8148,9.5804,1.9604;1.3344,9.0433,2.6248;2.7805,9.4804,2.0964;1.5779,9.2749,1.0597;1.0169,13.3636,4.1556;1.4261,14.1172,3.6601;1.6357,12.5921,4.1169;.7745,13.7623,5.6019;1.6377,14.0021,6.0229;.1897,14.5597,5.6277;-1.0877,12.3811,5.758;-1.6912,13.1649,5.7938;-1.5007,11.6522,6.2864;-.9245,11.9344,4.3217;-.3761,11.111,4.2874;-1.8113,11.7317,3.9308;-.2676,13.0046,3.547;-.7542,15.3956,1.2272;-2.9015,14.9283,1.5909;1.4499,10.9712,2.1079;-.6319,10.4108,1.4606;.1763,12.7264,6.3294;